ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 1-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C24H29N2O6S+ MolecularWeight: 473.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)C[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)C[NH+]4CCOCC4

InChI

InChI=1S/C24H28N2O6S/c1-4-31-24(27)23-20-15-18(32-33(28,29)19-8-5-17(2)6-9-19)7-10-21(20)25(3)22(23)16-26-11-13-30-14-12-26/h5-10,15H,4,11-14,16H2,1-3H3/p+1